SCHEMBL16088590

SCHEMBL16088590

CCc1ccc2c(c1)C(=O)N(c1ccc(C(=O)O)cc1)C2=O

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 8/20 0.68
▸ CA12 O43570 7/20 0.68
▸ CA1 P00915 6/20 0.68
▸ PPARA Q07869 1/20 0.63
▸ CA2 P00918 3/20 0.60
▸ SCN2A Q99250 1/20 0.60
▸ CA4 P22748 3/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.57
▸ POLB P06746 2/20 0.55
▸ MEN1 O00255 1/20 0.54
▸ GFER P55789 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ NR1H2 P55055 1/20 0.53
▸ NR1H3 Q13133 1/20 0.53
▸ ENPP2 Q13822 1/20 0.51
▸ CA7 P43166 1/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13169415 0.89 CA9 (0.52) CA9CA12CA1PPARACA2
SCHEMBL26228851 0.85 CA9 (0.63) CA9CA12CA1PPARACA2
SCHEMBL4234750 0.83 CA9 (0.77) CA9CA12CA1PPARACA2
SCHEMBL9564296 0.82 CA9 (0.66) CA9CA12CA1PPARACA2
SCHEMBL9339007 0.81 CA9 (0.77) CA9CA12CA1CA2SCN2A
SCHEMBL16088589 0.81 CA9 (1.00) CA9CA12CA1PPARACA2
SCHEMBL12216020 0.81 CA9 (0.72) CA9CA12CA1PPARACA2
SCHEMBL10098930 0.80 PLK1 (0.56) CA9CA12CA1CA2CA4
SCHEMBL10353031 0.79 RARB (0.59) CA9CA12CA1PPARACA2
SCHEMBL7197151 0.79 ESR1 (0.75) CA9CA12CA1PPARACA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9452170-B2 Compounds and methods for inducing chondrogenesis THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2016-09-27 — — US disclosed
US-20160045514-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS THE CALIFORNIA INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2016-02-18 — — US disclosed
US-20140271955-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS THE SCRIPPS RESEARCH INSTITUTE (US) 2014-09-18 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160045514-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS COL2A1, BMP4, COL1A1 CA9 1678/4885CA12 802/4885CA1 387/4885
US-20140271955-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS COL2A1, BMP4, COL1A1 CA9 1678/4885CA12 802/4885CA1 387/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

Send feedback